Compound Identification
SMILES
COC1=CC(NC(=O)C2=CNN3C(CC(N=C23)C2=CC=C(F)C=C2)C(F)(F)F)=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=VDNLRYMLRNYYDX-UHFFFAOYSA-N
Formula
C21H17F4N5O4
Mass
479.392
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Nitrobenzenes
- Level 5 Nitrophenyl ethers
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Subclass
Nitrobenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrophenyl ethers
Alternative Parents
Anilides Methoxyanilines Pyrimidinecarboxamides Pyrazolopyrimidines Anisoles Methoxybenzenes N-arylamides Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Fluorobenzenes Aryl fluorides Imidolactams Hydropyrimidines Pyrazolines Pyrazoles Vinylogous amides Amidrazones Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Amidines Azacyclic compounds Organic zwitterions Organic oxides Organofluorides Organic salts Carbonyl compounds Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Pyrimidinecarboxamide - Pyrazolopyrimidine - Anilide - Methoxyaniline - N-arylamide - Phenoxy compound - Phenol ether - Nitroaromatic compound - Anisole - Methoxybenzene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Pyrimidine - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Imidolactam - Aryl halide - Aryl fluoride - Vinylogous amide - Pyrazole - Pyrazoline - Secondary carboxylic acid amide - Carboxylic acid amidrazone - Carboxamide group - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Amidine - Carboxylic acid derivative - Organic oxoazanium - Ether - Azacycle - Organoheterocyclic compound - Organic zwitterion - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic salt - Alkyl fluoride - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
External Descriptors
Not available